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| CAS No.: | 1949-45-7 |
|---|---|
| Name: | Metrizoic acid |
| Molecular Structure: | |
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|
|
| Formula: | C12H11 I3 N2 O4 |
| Molecular Weight: | 627.944 |
| Synonyms: | Benzoicacid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)- (7CI,8CI);3,5-Diacetamido-N-methyl-2,4,6-triiodobenzoic acid; Metrizoate; Metrizoic acid |
| EINECS: | 217-761-1 |
| Density: | 2.483g/cm3 |
| Melting Point: | 281-282° |
| Boiling Point: | 678.8°Cat760mmHg |
| Flash Point: | 364.3°C |
| Risk Codes: | 36/37/38 |
| Safety: | Poison by intracerebral route. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of I− and NOx. |
| PSA: | 86.71000 |
| LogP: | 3.21270 |
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Chemistry
Product Name: Metrizoic acid (CAS NO.1949-45-7)
Molecular Formula: C12H11I3N2O4
Molecular Weight: 627.94g/mol
Mol File: 1949-45-7.mol
Einecs: 217-761-1
Boiling point: 678.8 °C at 760 mmHg
Flash Point: 364.3 °C
Density: 2.483 g/cm3
Surface Tension: 76 dyne/cm
Enthalpy of Vaporization: 104.65 kJ/mol
Vapour Pressure: 2.35E-19 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 4
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intracrebral | 234mg/kg (234mg/kg) | Drugs in Japan Vol. 6, Pg. 843, 1982. | |
| mouse | LD50 | intravenous | 10gm/kg (10000mg/kg) | Farmaco, Edizione Scientifica. Vol. 17, Pg. 340, 1962. | |
| mouse | LD50 | oral | > 46800ug/kg (46.8mg/kg) | Drugs in Japan Vol. 6, Pg. 843, 1982. | |
| mouse | LD50 | subcutaneous | 36gm/kg (36000mg/kg) | Drugs in Japan Vol. 6, Pg. 843, 1982. | |
| rat | LD50 | intravenous | 14300mg/kg (14300mg/kg) | Drugs in Japan Vol. 6, Pg. 843, 1982. | |
| rat | LD50 | oral | 38100mg/kg (38100mg/kg) | Drugs in Japan Vol. 6, Pg. 843, 1982. | |
| rat | LD50 | subcutaneous | 29600mg/kg (29600mg/kg) | Drugs in Japan Vol. 6, Pg. 843, 1982. |
Safety Profile
Poison by intracerebral route. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of I− and NOx.
Safety Information of Metrizoic acid (CAS NO.1949-45-7):
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
Metrizoic acid ,its CAS NO. is 1949-45-7,the synonyms is 3-Acetamido-5-(n-methylacetamido)-2,4,6-triiodobenzoic acid;metrizoic acid ; 3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-benzoicaci ; 3-Acetamido-2,4,6-triiodo-5-(n-methylacetamido)-benzoicaci;metrizoate ; 3-Acetamido-2,4,6-triiodo-5-n-methylacetamidobenzoic acid ; 3-(Acetylamino)-5-[acetyl methyl-amino)2,4,6-triiodobenzoic acid ; Metrizoic .